CID 8893253

N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide

Structural Information

Molecular Formula
C11H10ClN3OS
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CCl
InChI
InChI=1S/C11H10ClN3OS/c12-6-9-14-15-11(17-9)10(16)13-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)
InChIKey
MMJOGMFEHYNOHX-UHFFFAOYSA-N
Compound name
N-benzyl-5-(chloromethyl)-1,3,4-thiadiazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.02332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03060 156.2
[M+Na]+ 290.01254 165.4
[M-H]- 266.01604 160.8
[M+NH4]+ 285.05714 173.0
[M+K]+ 305.98648 160.0
[M+H-H2O]+ 250.02058 148.7
[M+HCOO]- 312.02152 170.5
[M+CH3COO]- 326.03717 168.2
[M+Na-2H]- 287.99799 158.3
[M]+ 267.02277 160.0
[M]- 267.02387 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.